SCHEMBL7535880

SCHEMBL7535880

COCCOCC(=O)N(C)C(CC(=O)O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.55
ITGB1 P05556 16/20 0.55
ITGB7 P26010 1/20 0.41
CHEK1 O14757 1/20 0.38
WNT3A P56704 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7422867 0.90 ITGA4 (0.51) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7429626 0.90 ITGB1 (0.59) ITGA4ITGB1CHEK1WNT3A
SCHEMBL7429378 0.90 ITGA4 (0.59) ITGA4ITGB1ITGB7CHEK1WNT3A
SCHEMBL7420868 0.89 ITGA4 (0.61) ITGA4ITGB1CHEK1WNT3A
SCHEMBL7421315 0.88 ITGB1 (0.57) ITGA4ITGB1ITGB7CHEK1WNT3A
SCHEMBL7476969 0.87 ITGA4 (0.60) ITGA4ITGB1CHEK1WNT3A
SCHEMBL7423364 0.87 ITGB1 (0.57) ITGA4ITGB1ITGB7WNT3A
SCHEMBL7423647 0.86 ITGB1 (0.57) ITGA4ITGB1ITGB7
SCHEMBL7389985 0.85 ITGA4 (0.57) ITGA4ITGB1CHEK1WNT3A
SCHEMBL7535873 0.85 ITGA4 (0.55) ITGA4ITGB1ITGB7CHEK1WNT3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed